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1443351-90-3

1443351-90-3 | 4-Bromo-3'-chloro-6'-methylbenzhydrol

CAS No: 1443351-90-3 Catalog No: AG01FD7H MDL No:

Product Description

Catalog Number:
AG01FD7H
Chemical Name:
4-Bromo-3'-chloro-6'-methylbenzhydrol
CAS Number:
1443351-90-3
Molecular Formula:
C14H12BrClO
Molecular Weight:
311.6015
IUPAC Name:
(4-bromophenyl)-(5-chloro-2-methylphenyl)methanol
InChI:
InChI=1S/C14H12BrClO/c1-9-2-7-12(16)8-13(9)14(17)10-3-5-11(15)6-4-10/h2-8,14,17H,1H3
InChI Key:
CMYLEKCFMBFMBR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cc(Cl)ccc1C)O

Properties

Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.976g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.603g/mol
Monoisotopic Mass:
309.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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